2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-4-pyrrolidino-phenyl)acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)N3CCCC3)C)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)N3CCCC3)C)C4=CC=CO4

InChI

InChI=1S/C21H25N5O2S/c1-3-26-20(18-7-6-12-28-18)23-24-21(26)29-14-19(27)22-17-9-8-16(13-15(17)2)25-10-4-5-11-25/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,22,27)